ergo
basis_func_pair_list.cc File Reference

Functions for setting up lists of non-negligible basis function pairs, for 2-electron integrals. More...

#include <cstdio>
#include <cstdlib>
#include <cmath>
#include "basis_func_pair_list.h"
#include "basis_func_extent.h"
#include "output.h"
#include "integrals_general.h"
#include "pi.h"
#include "integrals_2el_single.h"
#include "memorymanag.h"
#include "integrals_2el_repeating.h"
#include "utilities.h"
#include "box_system.h"

Functions

static int get_maxLimitingFactor (const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const ergo_real *basisFuncExtentList, ergo_real *result_maxLimitingFactor, const BoxSystem &boxSystem, const box_item_struct *itemList)
 
int get_basis_func_pair_list_2el (const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, ergo_real threshold, ergo_real maxDensityMatrixElement, std::vector< basis_func_index_pair_struct > &resultList)
 

Detailed Description

Functions for setting up lists of non-negligible basis function pairs, for 2-electron integrals.

Author
: Elias Rudberg responsible

Function Documentation

◆ get_basis_func_pair_list_2el()

◆ get_maxLimitingFactor()